⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27760093 | 0.80 | — | — | |
| SCHEMBL27781650 | 0.77 | — | — | |
| SCHEMBL27689436 | 0.74 | L3MBTL1 (0.33) | — | |
| SCHEMBL27591140 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL27678077 | 0.71 | FABP4 (0.38) | — | |
| SCHEMBL27799540 | 0.71 | FABP4 (0.38) | — | |
| SCHEMBL27799498 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL27572608 | 0.67 | CA1 (0.46) | — | |
| SCHEMBL7107937 | 0.66 | TLR9 (0.39) | — | |
| SCHEMBL27691091 | 0.66 | PKM (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101558065-A | Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMACEUTICALS SA (CH) | 2009-10-14 | — | — | CN | disclosed |